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Deacetamidine Cyano Dabigatran Ethyl Ester-[d3] Oxalate

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General Information
Catalog: BLP-006386
CAS: 1794780-07-6
Molecular Formula: C29H25D3N6O7
Molecular Weight: 575.59

Chemical Structure

Description	Deacetamidine Cyano Dabigatran Ethyl Ester-[d3] Oxalate is the labelled analogue of Deacetamidine Cyano Dabigatran Ethyl Ester Oxalate, which is a derivative of Dabigatran.
Synonyms	Deacetamidine Cyano Dabigatran-d3 Ethyl Ester Oxalate; N-[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine Ethyl Ester Ethanedioate-d3
IUPAC Name	ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-(trideuteriomethyl)benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;oxalic acid
Related CAS	1187067-69-1 (unlabelled)
Canonical SMILES	CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C#N)C.C(=O)(C(=O)O)O
InChI	InChI=1S/C27H26N6O3.C2H2O4/c1-3-36-26(34)13-15-33(24-6-4-5-14-29-24)27(35)20-9-12-23-22(16-20)31-25(32(23)2)18-30-21-10-7-19(17-28)8-11-21;3-1(4)2(5)6/h4-12,14,16,30H,3,13,15,18H2,1-2H3;(H,3,4)(H,5,6)/i2D3;
InChI Key	JMECGZWCALSAMG-MUTAZJQDSA-N
Purity	98%
Solubility	Soluble in Dimethyl Sulfoxide
Appearance	Off-white Solid